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BioLiP

PDB CCD ID: FLT
Number of entries in BioLiP: 0
Chemical formula: C12 H12 F N O7
InChI: InChI=1S/C12H12FNO7/c13-12(10(17)18,11(19)20)21-7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)(H,17,18)(H,19,20)/t8-/m0/s1
InChIKey: AXIAXCQZCZMCQW-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341N[C@@H](Cc1ccc(OC(F)(C(O)=O)C(O)=O)cc1)C(O)=O
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@H](C(=O)O)N)OC(C(=O)O)(C(=O)O)F
CACTVS 3.341N[CH](Cc1ccc(OC(F)(C(O)=O)C(O)=O)cc1)C(O)=O
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(C(=O)O)N)OC(C(=O)O)(C(=O)O)F
ACDLabs 10.04FC(Oc1ccc(cc1)CC(C(=O)O)N)(C(=O)O)C(=O)O
Name:FLUOROMALONYL TYROSINE
ChEMBL: CHEMBL431555
ZINC: ZINC000008378982
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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